SCHEMBL6780200

SCHEMBL6780200

Cc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 2/20 0.46
TP53BP1 Q12888 1/20 0.46
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA1 P30542 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAMPT P43490 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6773386 0.95 TP53BP1 (0.49) ALDH1A1POLBRXFP1TP53BP1ABL1
SCHEMBL6773364 0.89 RXFP1 (0.43) ALDH1A1POLBRXFP1MAPTHDAC3
SCHEMBL6773842 0.84 SMN1; SMN2 (0.50) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL6772992 0.84 HDAC3 (0.40) ALDH1A1RXFP1MAPTNAMPTHDAC3
SCHEMBL6773218 0.83 MCHR1 (0.47) ALDH1A1POLBMAPTNAMPTHDAC3
SCHEMBL6772811 0.82 ALDH1A1 (0.46) ALDH1A1POLBTP53BP1ABL1BCR
SCHEMBL6773253 0.81 GAA (0.41) ALDH1A1POLBABL1BCRMAPT
SCHEMBL6773542 0.80 TP53BP1 (0.48) ALDH1A1POLBTP53BP1ABL1BCR
SCHEMBL6780394 0.80 TRPV1 (0.47) MAPTHDAC3HDAC1TLR7
SCHEMBL6777601 0.79 MEN1 (0.48) MEN1KMT2ANAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed